fluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate

C10H10BrF3N2O3 — CID 175372726

IUPACfluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate
SMILESO=C(OF)C(F)(F)c1cc(Br)nn1C1CCCCO1
InChIInChI=1S/C10H10BrF3N2O3/c11-7-5-6(10(12,13)9(17)19-14)16(15-7)8-3-1-2-4-18-8/h5,8H,1-4H2
InChIKeyPGDORJDQJBNTJF-UHFFFAOYSA-N
MW343.10 g/mol
LogP2.86
Rot. Bonds3

About fluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate

fluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate (PubChem CID 175372726) has the molecular formula C10H10BrF3N2O3 and a molecular weight of 343.10 g/mol. Its IUPAC name is fluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate.

Molecular Properties

Compound Namefluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate
PubChem CID175372726
Molecular FormulaC10H10BrF3N2O3
Molecular Weight343.10 g/mol
Exact Mass341.98
IUPAC Namefluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate
SMILESO=C(OF)C(F)(F)c1cc(Br)nn1C1CCCCO1
InChIInChI=1S/C10H10BrF3N2O3/c11-7-5-6(10(12,13)9(17)19-14)16(15-7)8-3-1-2-4-18-8/h5,8H,1-4H2
InChIKeyPGDORJDQJBNTJF-UHFFFAOYSA-N
XLogP2.86
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.10
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoroacetate
CID 168806478
2-[1-(Oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]acetic acid
CID 170631837
Ethyl 2,2-difluoro-2-(2-propylpyrazol-3-yl)acetate
CID 63974853
Ethyl 2-(2-ethylpyrazol-3-yl)-2,2-difluoroacetate
CID 63976759
2-(3-bromo-1-methyl-1H-pyrazol-5-yl)-2-fluoroacetic acid
CID 165490409
2-(3-bromo-1-methyl-1H-pyrazol-5-yl)-2,2-difluoroacetic acid
CID 165960929
Ethyl 2-(3-bromo-1-methylpyrazol-5-yl)-2-methylpropanoate
CID 118690595
Methyl 2-(5-bromo-1-methyl-pyrazol-3-YL)acetate
CID 131278991
ethyl(3-bromo-1-methyl-1H-pyrazol-5-yl)acetate
CID 131746006
Methyl 2-(5-bromo-1-methylpyrazol-3-yl)-3-methylbutanoate
CID 170351072
Ethyl 2-[4-bromo-1-(oxan-2-yl)pyrazol-3-yl]acetate
CID 172254127
2-(3-Bromo-1-cyclopropylpyrazol-5-yl)acetic acid
CID 176403944

Frequently Asked Questions

What is the IUPAC name of fluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate?
The IUPAC name of fluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate (CID 175372726) is fluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate.
What is the SMILES notation for fluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate?
The canonical SMILES for fluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate is O=C(OF)C(F)(F)c1cc(Br)nn1C1CCCCO1.
What is the InChIKey of fluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate?
The InChIKey is PGDORJDQJBNTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O3/c11-7-5-6(10(12,13)9(17)19-14)16(15-7)8-3-1-2-4-18-8/h5,8H,1-4H2.
What are the key properties of fluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate?
fluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate has a molecular weight of 343.10 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[3-bromo-1-(oxan-2-yl)pyrazol-5-yl]-2,2-difluoroacetate is sourced from PubChem (CID 175372726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).